Publications

Jiawei Zhan, Marco Govoni, Giulia Galli (2025). Dielectric-Dependent Range-Separated Hybrid Functional Calculations for Metal Oxides. arXiv preprint arXiv:2502.13035.

Tianze Zheng, Ailun Wang, Xu Han, Yu Xia, Xingyuan Xu, Jiawei Zhan, Yu Liu, Yang Chen, Zhi Wang, Xiaojie Wu, Others (2025). Data-driven parametrization of molecular mechanics force fields for expansive chemical space coverage. Chemical Science.

Matthew Bousquet, Jiawei Zhan, Chunxin Luo, Alex B Martinson, Francois Gygi, Giulia Galli (2025). Computational study of indium oxide photoelectrodes. arXiv preprint arXiv:2503.07795.

Jiawei Zhan, Marco Govoni, Giulia Galli (2024). Screened-Exchange Range-Separated Hybrid Functionals for Surfaces and Interfaces. Bulletin of the American Physical Society.

Jiawei Zhan, Marco Govoni, Giulia Galli (2023). Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange. Journal of Chemical Theory and Computation.

Jiawei Zhan, Marco Govoni, Giulia Galli (2023). Hybrid functionals for heterogenous materials. APS March Meeting Abstracts.

Shuyang Yang, Imanuel Bier, Wen Wen, Jiawei Zhan, Saeed Moayedpour, Noa Marom (2020). Ogre: A python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction. The Journal of Chemical Physics.

Shuhui Wang, Jiawei Zhan, Kui Chen, Asad Ali, Linghui Zeng, He Zhao, Wanglai Hu, Lixin Zhu, Xiaoliang Xu (2020). Potassium-doped g-C3N4 achieving efficient visible-light-driven CO2 reduction. ACS Sustainable Chemistry & Engineering.